SCHEMBL2899991

SCHEMBL2899991

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC(C)C.CCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.65
PRKCA P17252 3/20 0.60
PRKCE Q02156 2/20 0.60
PRKCQ Q04759 2/20 0.60
PRKCD Q05655 2/20 0.60
SELP P16109 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
NR5A2 O00482 1/20 0.54
NR5A1 Q13285 1/20 0.54
S1PR1 P21453 1/20 0.54
ALDH1A1 P00352 1/20 0.50
ENPP2 Q13822 1/20 0.49
P2RY10 O00398 2/20 0.49
GPR34 Q9UPC5 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL776856 0.95 FABP3 (0.72) FABP3PRKCAPRKCEPRKCQPRKCD
Hydrochloric Acid SCHEMBL415484 0.89 FABP3 (0.79) FABP3PRKCAPRKCEPRKCQPRKCD
Diolein SCHEMBL16100175 0.87 PRKCA (0.71) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL18025185 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL21641641 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL25403277 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL4991825 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL22115876 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL13695210 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD
SCHEMBL20494173 0.86 FABP3 (0.88) FABP3PRKCAPRKCEPRKCQPRKCD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139516-A1 METHOD OF INDUCING NEUTRALIZING ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS Duke University (US) 2010-01-06 EP disclosed
WO-2008127651-A1 METHOD OF INDUCING NEUTRALIZING ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS DUKE UNIVERSITY (US) 2008-10-23 WO disclosed